| CAS Number | 828272-19-1 |
| Catalog Number | AG004SXR(AGN-PC-07Y4EM) |
| Chemical Name | Carbamic acid, (3-bromopropyl)methyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(3-bromopropyl)-N-methylcarbamate |
| InChI | InChI=1S/C9H18BrNO2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7H2,1-4H3 |
| InChI Key | PIUWBRCCWDAPFG-UHFFFAOYSA-N |
| MDL Number | MFCD16251262 |
| Molecular Formula | C9H18BrNO2 |
| Molecular Weight | 252.1487 |
| SMILES | O=C(OC(C)(C)C)N(CCCBr)C |
| Synonyms | 3-Bromo-N-methyl-N-boc-propylamine,
828272-19-1,
Carbamic acid, (3-bromopropyl)methyl-, 1,1-dimethylethyl ester,
tert-Butyl (3-bromopropyl)methylcarbamate,
SCHEMBL4907545,
CTK3D5886,
DTXSID10675728,
ZINC35636645,
AKOS025295794,
RT-008627,
FT-0663776,
tert-butyl N-(3-bromopropyl)-N-methylcarbamate,
2-Methyl-2-propanyl (3-bromopropyl)methylcarbamate,
N-(tert-Butyloxycarbonyl)-N-methyl-3-bromopropane-1-amine,
N-(3-Bromopropyl)-N-methylcarbamic Acid 1,1-Dimethylethyl Ester,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.152g/mol |
| Monoisotopic Mass | 251.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number